SCHEMBL3262448

SCHEMBL3262448

C=CC(=O)NNCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.63
ZDHHC2 Q9UIJ5 1/20 0.63
HDAC3 O15379 5/20 0.45
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 4/20 0.44
EPHX1 P07099 7/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CASP2 P42575 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5682114 0.94 ZDHHC20 (0.55) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL1727586 0.85
Hydrochloric Acid SCHEMBL4442928 0.83 ZDHHC20 (0.47) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Bromide SCHEMBL4449401 0.83 ZDHHC20 (0.47) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL588619 0.82 ZDHHC20 (0.41) ZDHHC20ZDHHC2HDAC3TSHR
Trimethylammonium SCHEMBL27513150 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Acetic Acid SCHEMBL3920204 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL639743 0.79 ZDHHC20 (0.96) ZDHHC20ZDHHC2EPHX1CASP2TSHR
SCHEMBL588626 0.79 TSHR (0.39) ZDHHC20ZDHHC2HDAC3TSHR
Trimethylammonium SCHEMBL27802499 0.78 ZDHHC20 (0.43) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5156053-A None JP disclosed
US-20100229417-A1 METHOD AND APPARATUS FOR CURING COATED FILM AND OPTICAL FILM FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
CN-1081440-A 2-aryl-5,6-ring-fused pyrimidines and weeding are used ROHM & HAAS (US) 1994-02-02 CN disclosed
JP-H05156053-A PERMANENT ANTISTATIC COATING AND COATED POLYMERIC FILM HOECHST CELANESE CORP 1993-06-22 JP disclosed